SCHEMBL2379660

SCHEMBL2379660

CC(=O)NCCNC(=O)CCCCC1CCSS1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.64
CA9 Q16790 1/20 0.64
ACHE P22303 8/20 0.57
HSD17B10 Q99714 2/20 0.57
KMT2A Q03164 2/20 0.57
TARDBP Q13148 2/20 0.57
CYP2C9 P11712 1/20 0.57
MEN1 O00255 1/20 0.57
NR1I2 O75469 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
THRB P10828 1/20 0.57
TSHR P16473 1/20 0.57
APEX1 P27695 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SAE1 Q9UBE0 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2380516 1.00 CA12 (0.64) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL22140609 0.89 CA12 (0.64) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL13834757 0.88 CA12 (0.74) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL2379548 0.87 CA12 (0.65) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL5066331 0.87 CA12 (0.65) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL2378787 0.87 CA12 (0.65) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL2381388 0.86 CA12 (0.67) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL2381206 0.86 CA12 (0.67) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL7843204 0.86 CA12 (0.67) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL12898412 0.86 ACHE (0.60) CA12CA9ACHEHSD17B10KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364304-A1 Alpha-lipoic acid derivatives and their use in drug preparation ISTITUTO BIOCHIMICO NAZIONALE SAVIO s.r.l. (IT) 2011-09-14 EP disclosed
US-20110212954-A1 ALPHA-LIPOIC ACID DERIVATIVES AND THEIR USE IN DRUG PREPARATION ISTITUTO BIOCHIMICO NAZIONALE SAVIO S.R.L. (IT) 2011-09-01 US disclosed
US-20110212954-A1 ALPHA-LIPOIC ACID DERIVATIVES AND THEIR USE IN DRUG PREPARATION ISTITUTO BIOCHIMICO NAZIONALE SAVIO S.R.L. (IT) 2011-09-01 US disclosed
WO-2010052310-A1 ALPHA-LIPOIC ACID DERIVATIVES AND THEIR USE IN DRUG PREPARATION SEGIX ITALIA S.R.L. (IT) 2010-05-14 WO disclosed
WO-2010052310-A1 ALPHA-LIPOIC ACID DERIVATIVES AND THEIR USE IN DRUG PREPARATION SEGIX ITALIA S.R.L. (IT) 2010-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212954-A1 ALPHA-LIPOIC ACID DERIVATIVES AND THEIR USE IN DRUG PREPARATION ALOX12, ALOX15, ALOX15B CA12 2077/4885CA9 1117/4885ACHE 1990/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.